A new approximate method for the stochastic simulation of chemical systems: The representative reaction approach.
- Published in:
- Journal of Computational Chemistry, 2012, v. 33, n. 3, p. 276, doi. 10.1002/jcc.21971
- By:
- Publication type:
- Article
Works matching IS 01928651 AND DT 2012 AND VI 33 AND IP 3
Results: 13
1
2
SPINE X: Improving protein secondary structure prediction by multistep learning coupled with prediction of solvent accessible surface area and backbone torsion angles.
- Published in:
- Journal of Computational Chemistry, 2012, v. 33, n. 3, p. 259, doi. 10.1002/jcc.21968
- By:
- Publication type:
- Article
3
Web interface for brownian dynamics simulation of ion transport and its applications to beta-barrel pores.
- Published in:
- Journal of Computational Chemistry, 2012, v. 33, n. 3, p. 331, doi. 10.1002/jcc.21952
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- Publication type:
- Article
4
Rigid-CLL: Avoiding constant-distance computations in cell linked-lists algorithms.
- Published in:
- Journal of Computational Chemistry, 2012, v. 33, n. 3, p. 294, doi. 10.1002/jcc.21974
- By:
- Publication type:
- Article
5
A possible overestimation of the effect of acetylation on lysine residues in KQ mutant analysis.
- Published in:
- Journal of Computational Chemistry, 2012, v. 33, n. 3, p. 239, doi. 10.1002/jcc.21956
- By:
- Publication type:
- Article
6
A computational chemist approach to gas sensors: Modeling the response of SnO<sub>2</sub> to CO, O<sub>2</sub>, and H<sub>2</sub>O Gases.
- Published in:
- Journal of Computational Chemistry, 2012, v. 33, n. 3, p. 247, doi. 10.1002/jcc.21959
- By:
- Publication type:
- Article
7
Accelerating molecular monte carlo simulations using distance and orientation-dependent energy tables: Tuning from atomistic accuracy to smoothed 'coarse-grained' models.
- Published in:
- Journal of Computational Chemistry, 2012, v. 33, n. 3, p. 268, doi. 10.1002/jcc.21970
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- Publication type:
- Article
8
Theoretical investigation of the ethylene dimer: Interaction energy and dipole moment.
- Published in:
- Journal of Computational Chemistry, 2012, v. 33, n. 3, p. 319, doi. 10.1002/jcc.21981
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- Publication type:
- Article
9
New functionalities in the GROMOS biomolecular simulation software.
- Published in:
- Journal of Computational Chemistry, 2012, v. 33, n. 3, p. 340, doi. 10.1002/jcc.21954
- By:
- Publication type:
- Article
10
QM/MM refinement and analysis of protein bound retinoic acid.
- Published in:
- Journal of Computational Chemistry, 2012, v. 33, n. 3, p. 301, doi. 10.1002/jcc.21978
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- Publication type:
- Article
11
The stability of small helical gold nanorods: A relativistic density functional study.
- Published in:
- Journal of Computational Chemistry, 2012, v. 33, n. 3, p. 311, doi. 10.1002/jcc.21980
- By:
- Publication type:
- Article
12
Analysis of lipid surface area in protein-membrane systems combining voronoi tessellation and monte carlo integration methods.
- Published in:
- Journal of Computational Chemistry, 2012, v. 33, n. 3, p. 286, doi. 10.1002/jcc.21973
- By:
- Publication type:
- Article
13
Erratum: Basis set dependence of solute-solvent interaction energy of benzene in water: A HF/DFT study.
- Published in:
- 2012
- By:
- Publication type:
- Erratum